>compound (-)-Riboflavin_(-)-Riboflavin
#instrument UPLC Q-Tof Premier, Waters
>formula C17H20N4O6
#smiles OCC(O)C(O)C(O)CN(c21)C(=N3)C(C(=O)NC(=O)3)=Nc(cc(C)c(C)c2)1
#RECORD LC-ESI-QTOF_train_data/PR100399.txt;LC-ESI-QTOF_train_data/PR100856.txt
>charge 1
>ionization [M+H]+
>parentmass 377.14608

>collision 5-60
172.0888 493.4
198.0686 378.8
243.0895 978.4
377.1461 1364.0

>collision 5-60
212.0835 81.46
241.0736 49.18
243.0878 20.85
255.0891 382.4
375.1305 68.57

